Molecule

ID:118406

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClN₂O₂
Molecular Mass
260.67576
Exact Mass
260.03525522
Charge
0
InChI
InChI=1S/C13H9ClN2O2/c14-7-1-3-12-10(5-7)16-13(17)9-6-8(15)2-4-11(9)18-12/h1-6H,15H2,(H,16,17)
InChIKey
WZJWVAGJKRYALX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)NC(=O)c1c(O2)ccc(c1)N
Isomeric Smiles
C1(=O)c2c(Oc3c(N1)cc(cc3)Cl)ccc(c2)N
Calculated Properties
JChem
Acid pKa
9.240616
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3659608
LogD (pH = 7.4)
2.3613632
Log P
2.3672907
Molar Refractivity
71.2795
Polarizability
25.965528
Polar Surface Area
64.35
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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